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Tert-butyl N-[[7-[amino-(1-cyanocyclopropyl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]carbamate

C17H22N6O2 — CID 157031809

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACtert-butyl N-[[7-[amino-(1-cyanocyclopropyl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cn2ncc(C(N)C3(C#N)CC3)cc2n1
InChIInChI=1S/C17H22N6O2/c1-16(2,3)25-15(24)20-8-12-9-23-13(22-12)6-11(7-21-23)14(19)17(10-18)4-5-17/h6-7,9,14H,4-5,8,19H2,1-3H3,(H,20,24)
InChIKeyRUPIXFKEKVJILC-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.06
Rot. Bonds4

About Tert-butyl N-[[7-[amino-(1-cyanocyclopropyl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]carbamate

Tert-butyl N-[[7-[amino-(1-cyanocyclopropyl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]carbamate (PubChem CID 157031809) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is tert-butyl N-[[7-[amino-(1-cyanocyclopropyl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]carbamate.

Molecular Properties

Compound NameTert-butyl N-[[7-[amino-(1-cyanocyclopropyl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]carbamate
PubChem CID157031809
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Nametert-butyl N-[[7-[amino-(1-cyanocyclopropyl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cn2ncc(C(N)C3(C#N)CC3)cc2n1
InChIInChI=1S/C17H22N6O2/c1-16(2,3)25-15(24)20-8-12-9-23-13(22-12)6-11(7-21-23)14(19)17(10-18)4-5-17/h6-7,9,14H,4-5,8,19H2,1-3H3,(H,20,24)
InChIKeyRUPIXFKEKVJILC-UHFFFAOYSA-N
XLogP2.06
TPSA118.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of Tert-butyl N-[[7-[amino-(1-cyanocyclopropyl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]carbamate?
The IUPAC name of Tert-butyl N-[[7-[amino-(1-cyanocyclopropyl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]carbamate (CID 157031809) is tert-butyl N-[[7-[amino-(1-cyanocyclopropyl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]carbamate.
What is the SMILES notation for Tert-butyl N-[[7-[amino-(1-cyanocyclopropyl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]carbamate?
The canonical SMILES for Tert-butyl N-[[7-[amino-(1-cyanocyclopropyl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]carbamate is CC(C)(C)OC(=O)NCc1cn2ncc(C(N)C3(C#N)CC3)cc2n1.
What is the InChIKey of Tert-butyl N-[[7-[amino-(1-cyanocyclopropyl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]carbamate?
The InChIKey is RUPIXFKEKVJILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-16(2,3)25-15(24)20-8-12-9-23-13(22-12)6-11(7-21-23)14(19)17(10-18)4-5-17/h6-7,9,14H,4-5,8,19H2,1-3H3,(H,20,24).
What are the key properties of Tert-butyl N-[[7-[amino-(1-cyanocyclopropyl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]carbamate?
Tert-butyl N-[[7-[amino-(1-cyanocyclopropyl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]carbamate has a molecular weight of 342.40 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for Tert-butyl N-[[7-[amino-(1-cyanocyclopropyl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]carbamate is sourced from PubChem (CID 157031809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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